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When preprocessing water or ions you don't get types or charges assigned #8

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gitoliver opened this issue Mar 14, 2024 · 1 comment
Open

When preprocessing water or ions you don't get types or charges assigned #8

gitoliver opened this issue Mar 14, 2024 · 1 comment
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"O" " " 0 808 131072 1 8 123456789.000000
"NA" " " 0 436 131072 1 7 123456789.000000
"NA" 436 2 6713 "?" 0
"WAT" 437 2 6714 "?" 0 // Here the ? should definitely be "w"
@gitoliver gitoliver added the bug Something isn't working label Mar 14, 2024
@gitoliver gitoliver self-assigned this Mar 14, 2024
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vraid commented Jul 9, 2024

How would one reproduce this?

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